CID 9575428

(2z,5z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylene]-2-(2-pyridylimino)thiazolidin-4-one

Structural Information

Molecular Formula
C23H18N4O4S
SMILES
CCOC1=CC=C(C=C1)N\2C(=O)/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/S/C2=N\C4=CC=CC=N4
InChI
InChI=1S/C23H18N4O4S/c1-2-31-19-11-9-17(10-12-19)26-22(28)20(15-16-6-5-7-18(14-16)27(29)30)32-23(26)25-21-8-3-4-13-24-21/h3-15H,2H2,1H3/b20-15-,25-23-
InChIKey
WYJOBMYOIKJPQS-JUPUPRTNSA-N
Compound name
(2Z,5Z)-3-(4-ethoxyphenyl)-5-[(3-nitrophenyl)methylidene]-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

446.1049 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.11218 207.0
[M+Na]+ 469.09412 212.1
[M-H]- 445.09762 218.5
[M+NH4]+ 464.13872 214.1
[M+K]+ 485.06806 201.2
[M+H-H2O]+ 429.10216 199.7
[M+HCOO]- 491.10310 225.3
[M+CH3COO]- 505.11875 225.2
[M+Na-2H]- 467.07957 208.1
[M]+ 446.10435 206.3
[M]- 446.10545 206.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.